1-[5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-14-20(16(3)25)15(2)23-21(14)22(26)24-13-7-5-6-8-19(24)17-9-11-18(27-4)12-10-17/h9-12,19,23H,5-8,13H2,1-4H3/t19-/m0/s1